N'-(1-benzofuran-3-yl)-N'-methylmethanediamine

C10H12N2O — CID 115225641

IUPACN'-(1-benzofuran-3-yl)-N'-methylmethanediamine
SMILESCN(CN)c1coc2ccccc12
InChIInChI=1S/C10H12N2O/c1-12(7-11)9-6-13-10-5-3-2-4-8(9)10/h2-6H,7,11H2,1H3
InChIKeyRYBLPXFZZXUYDD-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.79
Rot. Bonds2

About N'-(1-benzofuran-3-yl)-N'-methylmethanediamine

N'-(1-benzofuran-3-yl)-N'-methylmethanediamine (PubChem CID 115225641) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is N'-(1-benzofuran-3-yl)-N'-methylmethanediamine.

Molecular Properties

Compound NameN'-(1-benzofuran-3-yl)-N'-methylmethanediamine
PubChem CID115225641
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC NameN'-(1-benzofuran-3-yl)-N'-methylmethanediamine
SMILESCN(CN)c1coc2ccccc12
InChIInChI=1S/C10H12N2O/c1-12(7-11)9-6-13-10-5-3-2-4-8(9)10/h2-6H,7,11H2,1H3
InChIKeyRYBLPXFZZXUYDD-UHFFFAOYSA-N
XLogP1.79
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-(1-benzofuran-3-yl)-N',2,2-trimethylpropane-1,3-diamine
CID 115199967
N-[(1-aminocyclopropyl)methyl]-N-methyl-1-benzofuran-3-amine
CID 115256590
2-[1-benzofuran-3-yl(methyl)amino]acetonitrile
CID 115130924
5-[1-benzofuran-3-yl(methyl)amino]pentan-2-one
CID 115236413
2-[[1-benzofuran-3-yl(methyl)amino]methyl]-3-methylbutan-1-ol
CID 115252002
N-methyl-N-(piperidin-4-ylmethyl)-1-benzofuran-3-amine
CID 115209916
N,N-bis(1-benzofuran-3-yl)-6-methyl-1-benzofuran-3-amine
CID 155630972
3-N-(1-benzofuran-3-yl)-3-N-methylbenzene-1,3-diamine
CID 117040946
4-N-(1-benzofuran-3-yl)-4-N-methylcyclohexane-1,4-diamine
CID 115149803
4-N-(1-benzofuran-3-yl)-1-N,4-N-dimethylbenzene-1,4-diamine
CID 117041404
4-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylaniline
CID 117041671
4-[1-benzofuran-3-yl(methyl)amino]cyclohexan-1-ol
CID 115149469

Frequently Asked Questions

What is the IUPAC name of N'-(1-benzofuran-3-yl)-N'-methylmethanediamine?
The IUPAC name of N'-(1-benzofuran-3-yl)-N'-methylmethanediamine (CID 115225641) is N'-(1-benzofuran-3-yl)-N'-methylmethanediamine.
What is the SMILES notation for N'-(1-benzofuran-3-yl)-N'-methylmethanediamine?
The canonical SMILES for N'-(1-benzofuran-3-yl)-N'-methylmethanediamine is CN(CN)c1coc2ccccc12.
What is the InChIKey of N'-(1-benzofuran-3-yl)-N'-methylmethanediamine?
The InChIKey is RYBLPXFZZXUYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-12(7-11)9-6-13-10-5-3-2-4-8(9)10/h2-6H,7,11H2,1H3.
What are the key properties of N'-(1-benzofuran-3-yl)-N'-methylmethanediamine?
N'-(1-benzofuran-3-yl)-N'-methylmethanediamine has a molecular weight of 176.22 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-benzofuran-3-yl)-N'-methylmethanediamine is sourced from PubChem (CID 115225641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).